methyl 4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-3-23-18(13-15-7-5-4-6-8-15)21-22-20(23)26-14-16-9-11-17(12-10-16)19(24)25-2/h4-12H,3,13-14H2,1-2H3